Geometry & MOs

Info

ID:	277705
PubChem CID:	103830477
Reduced:	BrFNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	354.00376
ΔH_f, kcal/mol:	-85.96
Dipole, Da:	3.67
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=CC(=C(C=C2)Br)O

DOS

IR

Vibrations